Geometry & MOs

Info

ID:	140795
PubChem CID:	52761651
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-125.47
Dipole, Da:	4.39
IP(EA), eV:	-8.7(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] (Z)-2-methylpent-2-enoate

Drug info:

PubChemData

Smile

CC/C=C(/C)\C(=O)O[C@@H](C)C(=O)NC1=CC=CC(=C1)C

DOS

IR

Vibrations